WenHao Wang, Peizhi Niu, Zhao Xu, Zhaoyu Chen, Jian Du, Yaxin Du, Xianghe Pang, Keduan Huang, Yanfeng Wang, Qiang Yan, Siheng Chen. Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2026.

Abstract Deep Neural Networks (DNN) are crucial in approximating nonlinear functions across diverse applications, ranging from image classification to control. Verifying specific input-output properties can be a highly challenging task due to the lack of a single, self-contained framework that allows a complete range of various model architecture and input-output properties. To this end, we present ( https://github.com/intelligent-control-lab/ModelVerification.jl ), the first comprehensive, cutting-edge toolbox that contains a suite of state-of-the-art methods for verifying different types of DNNs and input-output specifications. This versatile toolbox is designed to empower developers and machine learning practitioners with robust tools for verifying and ensuring the trustworthiness of their DNN models.

We introduce a new graph diffusion model for small drug molecule generation which simultaneously offers a 10-fold reduction in the number of diffusion steps when compared to existing methods, preservation of small molecule graph motifs via motif compression, and an average 3\% improvement in SMILES validity over the DiGress model across all real-world molecule benchmarking datasets. Furthermore, our approach outperforms the state-of-the-art DeFoG method with respect to motif-conservation by roughly 4\%, as evidenced by high ChEMBL-likeness, QED and newly introduced shingles distance scores. The key ideas behind the approach are to use a combination of deterministic and random subgraph perturbations, so that the node and edge noise schedules are codependent; to modify the loss function of the training process in order to exploit the deterministic component of the schedule; and, to ''compress'' a collection of highly relevant carbon ring and other motif structures into supernodes in a way that allows for simple subsequent integration into the molecular scaffold.

Machine unlearning techniques aim to mitigate unintended memorization in large language models (LLMs). However, existing approaches predominantly focus on the explicit removal of isolated facts, often overlooking latent inferential dependencies and the non-deterministic nature of knowledge within LLMs. Consequently, facts presumed forgotten may persist implicitly through correlated information. To address these challenges, we propose a knowledge unlearning evaluation framework that more accurately captures the implicit structure of real-world knowledge by representing relevant factual contexts as knowledge graphs with associated confidence scores. We further develop an inference-based evaluation protocol leveraging powerful LLMs as judges; these judges reason over the extracted knowledge subgraph to determine unlearning success. Our LLM judges utilize carefully designed prompts and are calibrated against human evaluations to ensure their trustworthiness and stability. Extensive experiments on our newly constructed benchmark demonstrate that our framework provides a more realistic and rigorous assessment of unlearning performance. Moreover, our findings reveal that current evaluation strategies tend to overestimate unlearning effectiveness.